6-chloro-3-(2-cyclopropylethyl)-2-methylpyrimidin-4-one

C10H13ClN2O — CID 114581906

IUPAC6-chloro-3-(2-cyclopropylethyl)-2-methylpyrimidin-4-one
SMILESCc1nc(Cl)cc(=O)n1CCC1CC1
InChIInChI=1S/C10H13ClN2O/c1-7-12-9(11)6-10(14)13(7)5-4-8-2-3-8/h6,8H,2-5H2,1H3
InChIKeyUSDLIOHNAGALEQ-UHFFFAOYSA-N
MW212.68 g/mol
LogP2.01
Rot. Bonds3

About 6-chloro-3-(2-cyclopropylethyl)-2-methylpyrimidin-4-one

6-chloro-3-(2-cyclopropylethyl)-2-methylpyrimidin-4-one (PubChem CID 114581906) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is 6-chloro-3-(2-cyclopropylethyl)-2-methylpyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-(2-cyclopropylethyl)-2-methylpyrimidin-4-one
PubChem CID114581906
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC Name6-chloro-3-(2-cyclopropylethyl)-2-methylpyrimidin-4-one
SMILESCc1nc(Cl)cc(=O)n1CCC1CC1
InChIInChI=1S/C10H13ClN2O/c1-7-12-9(11)6-10(14)13(7)5-4-8-2-3-8/h6,8H,2-5H2,1H3
InChIKeyUSDLIOHNAGALEQ-UHFFFAOYSA-N
XLogP2.01
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(2-cyclopropylethyl)-2-methylpyrimidin-4-one?
The IUPAC name of 6-chloro-3-(2-cyclopropylethyl)-2-methylpyrimidin-4-one (CID 114581906) is 6-chloro-3-(2-cyclopropylethyl)-2-methylpyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-(2-cyclopropylethyl)-2-methylpyrimidin-4-one?
The canonical SMILES for 6-chloro-3-(2-cyclopropylethyl)-2-methylpyrimidin-4-one is Cc1nc(Cl)cc(=O)n1CCC1CC1.
What is the InChIKey of 6-chloro-3-(2-cyclopropylethyl)-2-methylpyrimidin-4-one?
The InChIKey is USDLIOHNAGALEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O/c1-7-12-9(11)6-10(14)13(7)5-4-8-2-3-8/h6,8H,2-5H2,1H3.
What are the key properties of 6-chloro-3-(2-cyclopropylethyl)-2-methylpyrimidin-4-one?
6-chloro-3-(2-cyclopropylethyl)-2-methylpyrimidin-4-one has a molecular weight of 212.68 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(2-cyclopropylethyl)-2-methylpyrimidin-4-one is sourced from PubChem (CID 114581906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).